SCHEMBL8524560

SCHEMBL8524560

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2nccn2)c(C)c1CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.42
HCRTR1 O43613 9/20 0.38
ENPP2 Q13822 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8524553 0.90 HCRTR2 (0.40) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8525154 0.87 HCRTR2 (0.44) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8525765 0.86 LMNA (0.34) HCRTR2GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8491729 0.86 L3MBTL1 (0.35) HCRTR2HCRTR1GABRG2GABRB3GABRA5
SCHEMBL8524835 0.86 HCRTR2 (0.34) HCRTR2HCRTR1HSP90AA1ALDH1A1KDM4E
SCHEMBL8525657 0.85 HCRTR2 (0.42) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8494706 0.84 KDM4E (0.39) GABRG2GABRB3GABRA5HSP90AA1ALDH1A1
SCHEMBL8525146 0.82 HCRTR2 (0.40) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8525775 0.81 HCRTR2 (0.43) HCRTR2HCRTR1ENPP2GABRG2GABRB3
SCHEMBL8524334 0.81 HCRTR2 (0.43) HCRTR2HCRTR1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed